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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
/neutral_SPh 35_a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RPBE1PBE | DEF2SVP | -1282.84444476; Eh | |||
/neutral_SPh 35_b | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RPBE1PBE | DEF2SVP | -1282.84389110; Eh | |||
/neutral_SPh 36_a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RPBE1PBE | DEF2SVP | -1282.84722483; Eh | |||
/neutral_SPh 36_b | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RPBE1PBE | DEF2SVP | -1282.85067121; Eh | |||
/neutral_SPh 37_a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RPBE1PBE | DEF2SVP | -1282.84847873; Eh | |||
/neutral_SPh 37_b | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RPBE1PBE | DEF2SVP | -1282.84459692; Eh | |||
/neutral_SPh 38_a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RPBE1PBE | DEF2SVP | -1282.84353766; Eh | |||
/neutral_SPh 38_b | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RPBE1PBE | DEF2SVP | -1282.83913082; Eh | |||
/neutral_SPh 39_a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RPBE1PBE | DEF2SVP | -1282.85741272; Eh | |||
/neutral_SPh 39_b | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RPBE1PBE | DEF2SVP | -1282.85374853; Eh | |||
/neutral_SPh 40_a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RPBE1PBE | DEF2SVP | -1282.82780034; Eh | |||
/neutral_SPh 40_b | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RPBE1PBE | DEF2SVP | -1282.82747005; Eh | |||
/neutral_SPh 41_a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RPBE1PBE | DEF2SVP | -1282.85108470; Eh | |||
/neutral_SPh 41_b | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RPBE1PBE | DEF2SVP | -1282.85130331; Eh | |||
/neutral_SPh 42_a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RPBE1PBE | DEF2SVP | -1282.83865158; Eh | |||
/neutral_SPh 42_b | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | RPBE1PBE | DEF2SVP | -1282.83806520; Eh |
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Results 1-16 of 16 (Search time: 0.109 seconds).
Discover
Subject
- 16 barbaralone
- 16 polycyclic
- 16 rearrangement
- 16 shapeshift
Method
- 16 RPBE1PBE
Basis
- 16 DEF2SVP
Program name
- 16 Gaussian
Calculation type
Institution